GenIce: Hydrogen-Disordered Ice Generator

Masakazu Matsumoto, Takuma Yagasaki, Hideki Tanaka

Research output: Contribution to journalArticlepeer-review

103 Citations (Scopus)


GenIce is an efficient and user-friendly tool to generate hydrogen-disordered ice structures. It makes ice and clathrate hydrate structures in various file formats. More than 100 kinds of structures are preset. Users can install their own crystal structures, guest molecules, and file formats as plugins. The algorithm certifies that the generated structures are completely randomized hydrogen-disordered networks obeying the ice rule with zero net polarization.

Original languageEnglish
JournalJournal of Computational Chemistry
Issue number1
Publication statusAccepted/In press - Jan 5 2018


  • Clathrate hydrates
  • Hydrogen-disordered ice
  • Ice polymorphs
  • Lattice generator
  • Zeolite

ASJC Scopus subject areas

  • Chemistry(all)
  • Computational Mathematics


Dive into the research topics of 'GenIce: Hydrogen-Disordered Ice Generator'. Together they form a unique fingerprint.

Cite this